#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tth n THR 2 N 0.00 0.00 -0.82 3.17 5.66 -1.26 -5.00 114.28 116.04 1tth n THR 2 Ca 0.00 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.71 1tth n THR 2 Cb 0.00 0.00 0.24 0.00 -1.55 0.00 0.00 70.33 69.02 1tth n THR 2 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 1tth s HIS 3 N 2.83 1.07 0.09 1.09 -0.00 -1.26 -5.06 115.29 114.06 1tth s HIS 3 Ca 0.00 0.86 -0.02 0.00 -0.00 0.00 0.00 55.06 55.91 1tth s HIS 3 Cb 0.00 -3.19 0.02 0.00 -0.00 0.00 0.00 32.58 29.42 1tth s HIS 3 CO 0.00 -3.80 0.13 -0.25 -0.00 0.00 0.00 174.74 170.81 1tth n ASP 4 N -4.81 0.00 -0.04 7.38 9.92 -1.26 -5.07 116.55 122.68 1tth n ASP 4 Ca 0.07 -1.04 -0.01 0.00 -0.53 0.00 0.00 54.79 53.28 1tth n ASP 4 Cb 0.57 -0.10 -0.00 0.00 -0.64 0.00 0.00 41.12 40.95 1tth n ASP 4 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 1tth h ASN 5 N -0.17 0.00 -4.24 -2.24 -0.73 -2.02 -3.48 115.58 102.70 1tth h ASN 5 Ca -0.04 0.00 -0.52 0.00 1.87 0.00 0.00 56.30 57.61 1tth h ASN 5 Cb 0.11 0.00 0.13 0.00 0.27 0.00 0.00 38.32 38.83 1tth h ASN 5 CO 0.03 0.37 0.34 -0.75 -0.37 0.00 0.00 177.43 177.05 1tth s LYS 6 N -1.51 2.34 -1.04 6.67 2.47 -1.26 -4.92 119.74 122.48 1tth s LYS 6 Ca -0.04 1.39 -0.04 0.00 -1.56 0.00 0.00 55.97 55.73 1tth s LYS 6 Cb 0.01 -1.89 0.30 0.00 -1.46 0.00 0.00 37.83 34.78 1tth s LYS 6 CO 0.06 -1.61 1.38 -0.11 0.16 0.00 0.00 175.35 175.22 1tth n LEU 7 N -3.01 6.10 -2.69 5.43 0.00 -1.26 -4.52 117.00 117.04 1tth n LEU 7 Ca 0.11 -5.22 -0.05 0.00 0.00 0.00 0.00 56.01 50.84 1tth n LEU 7 Cb 0.52 -1.24 0.07 0.00 0.00 0.00 0.00 43.42 42.77 1tth n LEU 7 CO 0.50 1.69 0.50 1.67 0.00 0.00 0.00 177.39 181.75 1tth n GLN 8 N 1.41 0.28 -4.25 1.96 7.27 -1.26 -5.17 117.38 117.62 1tth n GLN 8 Ca 0.26 -0.94 -0.21 0.00 0.07 0.00 0.00 57.00 56.19 1tth n GLN 8 Cb 0.34 -0.52 -0.12 0.00 2.41 0.00 0.00 30.24 32.36 1tth n GLN 8 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1tth s VAL 9 N 0.25 1.49 -0.43 1.69 -7.23 -1.26 -5.07 120.40 109.84 1tth s VAL 9 Ca 0.27 -1.57 0.08 0.00 -1.81 0.00 0.00 61.98 58.95 1tth s VAL 9 Cb 0.21 -1.46 0.30 0.00 0.56 0.00 0.00 36.38 35.99 1tth s VAL 9 CO -0.12 -0.21 0.89 -1.84 -0.31 0.00 0.00 175.10 173.51 1tth n GLU 10 N 0.91 0.92 -1.66 4.82 -0.00 -1.26 -5.13 120.64 119.24 1tth n GLU 10 Ca -0.18 -2.45 -0.46 0.00 -0.00 0.00 0.00 57.16 54.07 1tth n GLU 10 Cb 0.55 -1.32 -0.04 0.00 -0.00 0.00 0.00 31.44 30.62 1tth n GLU 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1tth n ALA 11 N 0.73 1.19 -1.73 -1.84 0.00 -1.26 -4.97 120.51 112.63 1tth n ALA 11 Ca 0.14 0.45 -0.31 0.00 0.00 0.00 0.00 53.44 53.72 1tth n ALA 11 Cb 0.65 -2.33 0.03 0.00 0.00 0.00 0.00 19.45 17.80 1tth n ALA 11 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1tth s ILE 12 N 0.92 4.38 -0.00 0.00 -4.36 -1.26 -5.03 121.20 115.86 1tth s ILE 12 Ca 0.79 0.78 -0.20 0.00 -0.26 0.00 0.00 60.65 61.76 1tth s ILE 12 Cb -0.70 -3.64 -0.24 0.00 1.25 0.00 0.00 42.46 39.13 1tth s ILE 12 CO 0.39 -1.00 1.09 0.50 0.24 0.00 0.00 174.94 176.15 1tth h LYS 13 N -0.49 0.39 -3.18 0.37 3.64 -1.93 -3.33 116.57 112.04 1tth h LYS 13 Ca -0.44 -0.42 -0.17 0.00 -1.27 0.00 0.00 60.65 58.36 1tth h LYS 13 Cb 1.20 0.12 -0.25 0.00 -0.41 0.00 0.00 32.23 32.89 1tth h LYS 13 CO 0.59 1.09 -0.44 -0.98 -2.27 0.00 0.00 179.45 177.44 1tth s ARG 14 N -3.19 0.30 0.00 1.90 1.70 -1.26 -0.17 118.95 118.23 1tth s ARG 14 Ca -0.13 0.27 0.00 0.00 -0.47 0.00 0.00 55.73 55.39 1tth s ARG 14 Cb 0.03 0.14 0.00 0.00 -0.57 0.00 0.00 34.95 34.55 1tth s ARG 14 CO 0.82 -0.04 0.00 0.41 -1.08 0.00 0.00 175.30 175.40 1tth n GLY 15 N 2.81 1.56 3.90 3.88 0.00 0.17 0.27 105.19 117.78 1tth n GLY 15 Ca -0.14 -1.50 -0.28 0.00 0.00 0.00 0.00 46.02 44.11 1tth n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tth s THR 16 N -1.80 3.97 -0.32 2.61 2.01 0.18 0.01 115.64 122.28 1tth s THR 16 Ca 0.00 0.29 0.03 0.00 0.31 0.00 0.00 61.69 62.32 1tth s THR 16 Cb 0.00 -3.59 0.16 0.00 0.01 0.00 0.00 72.50 69.08 1tth s THR 16 CO 0.00 -0.67 0.43 -0.69 -0.69 0.00 0.00 174.62 173.00 1tth s VAL 17 N -3.08 -0.61 -0.23 3.82 1.01 0.03 -2.00 120.40 119.34 1tth s VAL 17 Ca 0.54 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.83 1tth s VAL 17 Cb -0.11 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 1tth s VAL 17 CO 0.48 -0.32 0.91 -0.63 0.00 0.00 0.00 175.10 175.54 1tth s ILE 18 N 2.19 4.78 0.42 2.22 1.09 0.20 -0.05 121.20 132.06 1tth s ILE 18 Ca 0.12 1.74 0.06 0.00 -1.10 0.00 0.00 60.65 61.47 1tth s ILE 18 Cb -0.12 -4.19 -0.07 0.00 -1.06 0.00 0.00 42.46 37.02 1tth s ILE 18 CO -0.21 -0.10 0.01 -0.62 -0.10 0.00 0.00 174.94 173.92 1tth s ASP 19 N 1.27 3.85 0.00 3.58 2.15 0.31 0.45 116.67 128.29 1tth s ASP 19 Ca 0.38 -1.42 0.00 0.00 0.43 0.00 0.00 52.55 51.95 1tth s ASP 19 Cb -0.15 -0.24 0.00 0.00 -0.30 0.00 0.00 42.92 42.22 1tth s ASP 19 CO 0.07 -0.52 0.00 1.41 -0.17 0.00 0.00 175.17 175.96 1tth n HIS 20 N -1.00 0.00 -1.67 -5.34 8.25 -1.26 0.78 115.22 114.98 1tth n HIS 20 Ca -0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.96 1tth n HIS 20 Cb 0.67 -0.78 -0.03 0.00 1.12 0.00 0.00 29.99 30.97 1tth n HIS 20 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1tth n ILE 21 N -2.44 0.65 -1.28 1.59 5.41 -1.03 -3.72 119.36 118.53 1tth n ILE 21 Ca 0.00 -0.12 -0.35 0.00 1.00 0.00 0.00 62.75 63.28 1tth n ILE 21 Cb 0.16 -2.23 0.10 0.00 -0.71 0.00 0.00 39.64 36.96 1tth n ILE 21 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1tth n PRO 22 N 6.95 0.41 -1.38 0.38 -0.04 -1.26 -0.94 135.00 139.11 1tth n PRO 22 Ca 0.20 0.20 -0.37 0.00 -0.04 0.00 0.00 63.50 63.49 1tth n PRO 22 Cb 0.39 -2.29 0.05 0.00 -0.04 0.00 0.00 33.50 31.61 1tth n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tth n ALA 23 N -2.76 -1.27 -2.17 0.55 0.00 -1.25 -2.82 120.51 110.78 1tth n ALA 23 Ca 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1tth n ALA 23 Cb 0.50 -1.85 -0.00 0.00 0.00 0.00 0.00 19.45 18.10 1tth n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1tth n GLN 24 N -0.39 -2.44 0.00 0.00 6.02 -1.26 -4.70 117.38 114.61 1tth n GLN 24 Ca 0.11 0.13 0.03 0.00 -0.01 0.00 0.00 57.00 57.26 1tth n GLN 24 Cb 0.49 -4.54 0.01 0.00 1.02 0.00 0.00 30.24 27.22 1tth n GLN 24 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1tth n ILE 25 N -2.34 0.00 0.07 5.09 2.08 -1.13 -4.49 119.36 118.64 1tth n ILE 25 Ca -0.03 -0.45 -0.07 0.00 0.56 0.00 0.00 62.75 62.76 1tth n ILE 25 Cb 0.42 1.11 0.09 0.00 -0.75 0.00 0.00 39.64 40.51 1tth n ILE 25 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1tth h GLY 26 N 1.46 0.35 1.36 7.39 0.00 -1.84 -2.54 103.07 109.25 1tth h GLY 26 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 47.33 46.59 1tth h GLY 26 CO 0.00 0.39 -1.44 -2.75 0.00 0.00 0.00 176.54 172.75 1tth h PHE 27 N 0.24 0.57 -0.07 5.60 3.57 -1.96 -2.93 116.94 121.96 1tth h PHE 27 Ca -0.01 -0.42 0.04 0.00 3.53 0.00 0.00 57.97 61.11 1tth h PHE 27 Cb 1.14 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.81 1tth h PHE 27 CO 0.03 1.40 -0.19 0.87 -2.23 0.00 0.00 178.31 178.19 1tth h LYS 28 N 0.09 -0.26 0.13 1.11 1.57 -1.78 -2.49 116.57 114.94 1tth h LYS 28 Ca -0.21 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1tth h LYS 28 Cb 2.03 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 34.35 1tth h LYS 28 CO 0.20 -0.17 -0.53 -0.07 -0.57 0.00 0.00 179.45 178.30 1tth h LEU 29 N -0.27 -1.59 -0.98 2.94 3.38 -1.55 0.53 115.31 117.77 1tth h LEU 29 Ca 0.08 0.17 0.39 0.00 0.09 0.00 0.00 57.88 58.61 1tth h LEU 29 Cb 0.38 0.58 -0.16 0.00 0.09 0.00 0.00 40.66 41.56 1tth h LEU 29 CO -0.23 -0.56 0.56 -0.11 0.09 0.00 0.00 178.44 178.19 1tth n LEU 30 N -5.46 0.29 -0.07 1.67 7.94 -1.11 -2.23 117.00 118.04 1tth n LEU 30 Ca -0.09 1.45 -0.05 0.00 -1.11 0.00 0.00 56.01 56.22 1tth n LEU 30 Cb 0.41 -0.71 -0.02 0.00 0.53 0.00 0.00 43.42 43.63 1tth n LEU 30 CO 0.16 -1.62 -0.30 -1.28 -1.11 0.00 0.00 177.39 173.24 1tth h SER 31 N 0.00 0.00 0.00 1.96 0.87 -0.71 -3.25 113.55 112.43 1tth h SER 31 Ca 0.78 -0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 61.24 1tth h SER 31 Cb 2.16 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 64.10 1tth h SER 31 CO -0.64 0.76 0.07 0.18 -0.53 0.00 0.00 176.83 176.66 1tth n LEU 32 N -4.63 2.40 0.00 2.23 4.77 0.17 -0.96 117.00 120.98 1tth n LEU 32 Ca -0.07 -1.52 0.00 0.00 -0.03 0.00 0.00 56.01 54.38 1tth n LEU 32 Cb 0.25 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1tth n LEU 32 CO 0.10 0.49 0.00 0.49 -1.33 0.00 0.00 177.39 177.13 1tth n PHE 33 N 2.46 0.00 -3.71 -1.77 3.72 -1.17 -4.89 117.46 112.10 1tth n PHE 33 Ca 0.13 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.31 1tth n PHE 33 Cb 0.36 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.94 1tth n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1tth n LYS 34 N 0.00 -5.37 -0.43 -1.08 5.02 -0.13 -4.88 118.16 111.29 1tth n LYS 34 Ca 0.00 0.65 0.09 0.00 -2.02 0.00 0.00 58.31 57.03 1tth n LYS 34 Cb 0.00 -5.34 0.29 0.00 -0.02 0.00 0.00 35.03 29.96 1tth n LYS 34 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1tth n LEU 35 N -4.38 3.76 0.00 -0.35 -0.00 -1.22 -3.99 117.00 110.82 1tth n LEU 35 Ca -0.22 -1.89 0.10 0.00 -0.00 0.00 0.00 56.01 54.00 1tth n LEU 35 Cb 0.64 -0.48 -0.06 0.00 -0.00 0.00 0.00 43.42 43.52 1tth n LEU 35 CO 0.69 0.77 -0.04 0.35 -0.00 0.00 0.00 177.39 179.15 1tth n THR 36 N 1.12 0.01 -0.02 1.47 -2.24 -1.26 -4.40 114.28 108.97 1tth n THR 36 Ca 0.22 -0.06 -0.13 0.00 -2.27 0.00 0.00 64.05 61.80 1tth n THR 36 Cb 0.66 0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 69.54 1tth n THR 36 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1tth h GLU 37 N 0.00 -0.03 -6.45 -0.78 3.07 -1.94 -3.47 114.58 104.98 1tth h GLU 37 Ca 0.00 0.00 -0.47 0.00 -0.50 0.00 0.00 59.36 58.39 1tth h GLU 37 Cb 0.56 0.01 0.24 0.00 -0.84 0.00 0.00 28.75 28.72 1tth h GLU 37 CO 0.00 0.60 -1.62 0.25 -1.40 0.00 0.00 179.01 176.84 1tth n THR 38 N -4.79 0.00 -0.04 1.13 -2.24 -1.26 -4.97 114.28 102.11 1tth n THR 38 Ca -0.09 -0.21 -0.21 0.00 -2.27 0.00 0.00 64.05 61.27 1tth n THR 38 Cb 0.32 -0.40 -0.13 0.00 -2.10 0.00 0.00 70.33 68.02 1tth n THR 38 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1tth n ASP 39 N 0.09 2.06 -4.46 3.42 9.92 -1.26 -4.99 116.55 121.33 1tth n ASP 39 Ca -0.00 0.17 -0.56 0.00 -0.53 0.00 0.00 54.79 53.87 1tth n ASP 39 Cb 0.66 -0.78 -0.07 0.00 -0.64 0.00 0.00 41.12 40.29 1tth n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1tth n GLN 40 N -3.58 0.00 -1.68 -1.24 1.13 -1.26 -4.82 117.38 105.92 1tth n GLN 40 Ca -0.36 0.00 -0.44 0.00 -1.94 0.00 0.00 57.00 54.27 1tth n GLN 40 Cb 0.99 -1.35 -0.02 0.00 0.11 0.00 0.00 30.24 29.97 1tth n GLN 40 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1tth n ARG 41 N 1.35 2.10 -4.87 -1.09 0.63 -1.26 -4.81 116.66 108.71 1tth n ARG 41 Ca 0.19 0.74 -0.29 0.00 -0.92 0.00 0.00 57.85 57.57 1tth n ARG 41 Cb 0.13 -2.37 -0.15 0.00 0.45 0.00 0.00 32.46 30.52 1tth n ARG 41 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1tth s ILE 42 N -0.48 2.03 -0.12 5.15 1.01 -1.26 -2.68 121.20 124.85 1tth s ILE 42 Ca 0.63 -1.33 0.03 0.00 0.00 0.00 0.00 60.65 59.97 1tth s ILE 42 Cb -0.61 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.12 1tth s ILE 42 CO 0.55 0.34 -0.21 -0.89 0.00 0.00 0.00 174.94 174.73 1tth s THR 43 N -0.79 2.20 -0.15 2.92 2.01 0.16 -5.00 115.64 116.99 1tth s THR 43 Ca 0.11 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.16 1tth s THR 43 Cb -0.10 -1.87 0.02 0.00 0.01 0.00 0.00 72.50 70.56 1tth s THR 43 CO 0.02 0.55 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.72 1tth s ILE 44 N 0.58 1.60 -0.66 1.82 1.09 -1.26 -0.94 121.20 123.42 1tth s ILE 44 Ca -0.12 -0.65 -0.16 0.00 -1.10 0.00 0.00 60.65 58.62 1tth s ILE 44 Cb -0.17 -1.50 0.16 0.00 -1.06 0.00 0.00 42.46 39.89 1tth s ILE 44 CO 0.04 0.46 0.65 -0.83 -0.10 0.00 0.00 174.94 175.15 1tth s GLY 45 N 1.48 2.23 0.19 6.18 0.00 0.65 -4.97 107.32 113.08 1tth s GLY 45 Ca 0.05 -2.77 -0.08 0.00 0.00 0.00 0.00 44.72 41.92 1tth s GLY 45 CO -0.11 1.31 0.49 1.08 0.00 0.00 0.00 173.10 175.87 1tth s LEU 46 N 1.33 4.21 -1.49 0.66 1.43 -1.26 0.05 118.68 123.60 1tth s LEU 46 Ca 0.11 0.81 -0.16 0.00 -1.03 0.00 0.00 54.13 53.85 1tth s LEU 46 Cb -0.21 -3.53 0.15 0.00 0.03 0.00 0.00 46.19 42.62 1tth s LEU 46 CO -0.01 -0.02 0.58 0.59 0.23 0.00 0.00 176.35 177.72 1tth n ASN 47 N -0.01 -2.70 -4.58 2.29 3.02 -1.23 -4.92 115.26 107.12 1tth n ASN 47 Ca -0.01 -0.79 -0.28 0.00 -0.03 0.00 0.00 54.58 53.46 1tth n ASN 47 Cb 0.52 -2.27 0.21 0.00 -0.61 0.00 0.00 39.78 37.63 1tth n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1tth s LEU 48 N -6.85 1.23 0.00 3.41 1.43 0.42 -4.59 118.68 113.72 1tth s LEU 48 Ca 0.63 1.23 0.01 0.00 -1.03 0.00 0.00 54.13 54.96 1tth s LEU 48 Cb -0.35 -3.28 0.05 0.00 0.03 0.00 0.00 46.19 42.63 1tth s LEU 48 CO 0.77 -3.57 0.34 -0.81 0.23 0.00 0.00 176.35 173.31 1tth n PRO 49 N -4.47 0.46 0.00 1.29 -0.04 -1.26 0.19 135.00 131.17 1tth n PRO 49 Ca 0.04 -0.98 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 1tth n PRO 49 Cb 0.57 -0.20 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 1tth n PRO 49 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1tth n SER 50 N -2.93 0.00 0.00 3.54 2.88 0.49 -4.00 113.62 113.60 1tth n SER 50 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1tth n SER 50 Cb 0.21 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1tth n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1tth n GLY 51 N -0.40 1.12 0.03 0.46 0.00 -1.21 -3.79 105.19 101.41 1tth n GLY 51 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1tth n GLY 51 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1tth n GLU 52 N 0.00 0.79 0.00 1.61 0.28 -1.26 -4.35 120.64 117.72 1tth n GLU 52 Ca 0.00 -0.11 0.04 0.00 -0.16 0.00 0.00 57.16 56.93 1tth n GLU 52 Cb 0.00 -1.41 0.03 0.00 1.43 0.00 0.00 31.44 31.48 1tth n GLU 52 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1tth n MET 53 N -2.26 0.82 0.00 3.44 2.81 -1.25 -5.08 117.12 115.60 1tth n MET 53 Ca -0.11 -0.90 0.00 0.00 -1.81 0.00 0.00 57.70 54.88 1tth n MET 53 Cb 0.64 -1.14 0.00 0.00 -0.71 0.00 0.00 33.22 32.01 1tth n MET 53 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1tth n GLY 54 N 0.61 1.65 3.88 3.03 0.00 -1.26 -4.69 105.19 108.41 1tth n GLY 54 Ca 0.05 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1tth n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tth s ARG 55 N 0.00 3.47 0.02 1.61 0.52 -1.25 0.19 118.95 123.50 1tth s ARG 55 Ca 0.00 -0.14 0.01 0.00 -0.52 0.00 0.00 55.73 55.08 1tth s ARG 55 Cb 0.00 -3.17 -0.02 0.00 0.52 0.00 0.00 34.95 32.29 1tth s ARG 55 CO 0.00 0.75 -0.04 -1.59 0.02 0.00 0.00 175.30 174.43 1tth s LYS 56 N -1.25 0.36 -0.13 3.54 -2.85 0.50 -3.94 119.74 115.97 1tth s LYS 56 Ca 0.19 -0.55 -0.05 0.00 -1.00 0.00 0.00 55.97 54.56 1tth s LYS 56 Cb -0.12 -0.09 -0.04 0.00 -2.06 0.00 0.00 37.83 35.52 1tth s LYS 56 CO 0.08 0.01 0.06 -0.51 0.10 0.00 0.00 175.35 175.09 1tth s ASP 57 N -1.20 5.72 -0.02 0.03 1.01 -0.12 0.16 116.67 122.25 1tth s ASP 57 Ca -0.10 0.22 0.02 0.00 0.71 0.00 0.00 52.55 53.40 1tth s ASP 57 Cb -0.08 -1.82 0.00 0.00 1.01 0.00 0.00 42.92 42.03 1tth s ASP 57 CO -0.00 0.32 -0.08 -0.22 0.21 0.00 0.00 175.17 175.40 1tth s LEU 58 N -0.49 1.79 -0.21 1.23 2.96 0.11 -2.48 118.68 121.59 1tth s LEU 58 Ca 0.10 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 1tth s LEU 58 Cb -0.12 -0.48 0.02 0.00 0.50 0.00 0.00 46.19 46.12 1tth s LEU 58 CO 0.02 0.05 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.32 1tth s ILE 59 N 0.19 2.34 -0.46 6.68 1.01 0.17 -0.25 121.20 130.88 1tth s ILE 59 Ca -0.03 -1.01 -0.12 0.00 0.00 0.00 0.00 60.65 59.50 1tth s ILE 59 Cb -0.08 -2.08 0.09 0.00 0.01 0.00 0.00 42.46 40.40 1tth s ILE 59 CO 0.00 0.39 0.34 -0.75 0.00 0.00 0.00 174.94 174.93 1tth s LYS 60 N 1.29 2.72 -0.25 2.79 2.20 -0.12 0.60 119.74 128.97 1tth s LYS 60 Ca 0.02 -1.53 -0.06 0.00 -0.36 0.00 0.00 55.97 54.05 1tth s LYS 60 Cb -0.15 -3.97 -0.01 0.00 -1.51 0.00 0.00 37.83 32.19 1tth s LYS 60 CO -0.10 -1.07 0.04 0.42 -0.36 0.00 0.00 175.35 174.29 1tth s ILE 61 N 1.49 3.96 -0.17 5.43 1.01 -0.85 0.35 121.20 132.43 1tth s ILE 61 Ca 0.04 -0.40 -0.28 0.00 0.00 0.00 0.00 60.65 60.00 1tth s ILE 61 Cb -0.25 -2.89 -0.00 0.00 0.01 0.00 0.00 42.46 39.32 1tth s ILE 61 CO 0.03 0.29 0.99 -0.70 0.00 0.00 0.00 174.94 175.54 1tth s GLU 62 N 1.55 4.32 0.00 2.79 2.12 -1.09 -1.98 118.70 126.41 1tth s GLU 62 Ca 0.05 1.30 0.00 0.00 0.36 0.00 0.00 54.97 56.68 1tth s GLU 62 Cb -0.15 -3.59 0.00 0.00 0.26 0.00 0.00 34.13 30.64 1tth s GLU 62 CO 0.01 -0.46 0.00 0.09 -0.54 0.00 0.00 175.26 174.37 1tth n ASN 63 N 5.63 -3.51 -4.68 -1.70 4.13 0.77 -4.59 115.26 111.31 1tth n ASN 63 Ca 0.09 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 56.04 1tth n ASN 63 Cb 0.48 -1.90 -0.08 0.00 -1.54 0.00 0.00 39.78 36.73 1tth n ASN 63 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1tth s THR 64 N -1.69 4.06 -0.08 3.41 2.01 -1.25 -4.83 115.64 117.26 1tth s THR 64 Ca 0.00 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.21 1tth s THR 64 Cb 0.00 -2.88 0.01 0.00 0.01 0.00 0.00 72.50 69.64 1tth s THR 64 CO 0.00 0.24 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.65 1tth s PHE 65 N -1.21 1.83 0.20 4.92 0.08 -1.26 0.47 117.98 123.02 1tth s PHE 65 Ca 0.23 -0.74 -0.32 0.00 0.12 0.00 0.00 56.93 56.21 1tth s PHE 65 Cb -0.12 -1.30 -0.12 0.00 -0.57 0.00 0.00 43.02 40.91 1tth s PHE 65 CO 0.15 -0.35 1.68 1.28 -0.10 0.00 0.00 175.22 177.87 1tth n LEU 66 N 3.82 3.81 -4.63 -0.37 7.99 -1.26 -4.96 117.00 121.40 1tth n LEU 66 Ca -0.21 1.07 -0.40 0.00 -0.01 0.00 0.00 56.01 56.46 1tth n LEU 66 Cb 0.52 -1.54 0.03 0.00 -0.11 0.00 0.00 43.42 42.32 1tth n LEU 66 CO 0.26 0.07 0.62 -1.20 -1.51 0.00 0.00 177.39 175.62 1tth n SER 67 N 3.71 1.28 0.00 -1.43 7.64 -1.26 -4.83 113.62 118.72 1tth n SER 67 Ca 0.16 0.95 0.09 0.00 1.01 0.00 0.00 58.87 61.08 1tth n SER 67 Cb 0.34 -1.40 0.48 0.00 -1.01 0.00 0.00 64.21 62.62 1tth n SER 67 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1tth n GLU 68 N -0.36 0.32 -0.10 1.43 -0.00 -1.26 -1.95 120.64 118.72 1tth n GLU 68 Ca 0.11 0.09 -0.13 0.00 -0.00 0.00 0.00 57.16 57.23 1tth n GLU 68 Cb 0.43 -1.50 -0.11 0.00 -0.00 0.00 0.00 31.44 30.26 1tth n GLU 68 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1tth n ASP 69 N -1.24 1.97 -0.03 -1.84 2.03 -1.26 -4.28 116.55 111.90 1tth n ASP 69 Ca 0.10 -0.08 0.19 0.00 0.52 0.00 0.00 54.79 55.52 1tth n ASP 69 Cb 0.13 0.03 0.65 0.00 -0.72 0.00 0.00 41.12 41.21 1tth n ASP 69 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1tth h GLN 70 N 0.00 0.09 0.00 -0.67 4.20 -1.74 1.44 115.11 118.44 1tth h GLN 70 Ca -0.46 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1tth h GLN 70 Cb 1.80 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.56 1tth h GLN 70 CO -0.04 0.06 0.00 0.28 -0.67 0.00 0.00 178.83 178.46 1tth h VAL 71 N 0.09 0.00 0.00 -0.54 2.07 -1.63 -2.79 116.25 113.45 1tth h VAL 71 Ca 0.27 -0.57 -0.17 0.00 0.82 0.00 0.00 66.70 67.05 1tth h VAL 71 Cb 0.95 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 1tth h VAL 71 CO -0.03 0.00 -0.80 0.44 0.02 0.00 0.00 177.57 177.21 1tth h ASP 72 N 0.00 0.00 0.37 0.57 3.32 0.18 -2.33 116.42 118.53 1tth h ASP 72 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1tth h ASP 72 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1tth h ASP 72 CO 0.00 0.80 -0.94 0.00 -1.72 0.00 0.00 179.24 177.38 1tth n GLN 73 N -3.33 0.20 0.13 3.56 10.64 -0.84 -3.31 117.38 124.42 1tth n GLN 73 Ca 0.01 -0.00 0.13 0.00 -1.83 0.00 0.00 57.00 55.30 1tth n GLN 73 Cb 0.84 -1.56 0.41 0.00 -0.86 0.00 0.00 30.24 29.07 1tth n GLN 73 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 1tth h LEU 74 N 0.00 0.00 -2.09 2.61 5.85 -1.40 -2.90 115.31 117.37 1tth h LEU 74 Ca 0.00 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1tth h LEU 74 Cb 0.66 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 1tth h LEU 74 CO 0.00 0.00 0.09 0.00 -0.34 0.00 0.00 178.44 178.19 1tth h ALA 75 N 2.41 2.00 0.00 1.25 0.00 -1.41 -0.99 119.26 122.51 1tth h ALA 75 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1tth h ALA 75 Cb 0.69 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1tth h ALA 75 CO 0.00 -0.14 -0.77 -0.07 0.00 0.00 0.00 179.25 178.27 1tth h LEU 76 N 0.00 0.00 0.27 0.00 4.07 -1.70 -3.34 115.31 114.62 1tth h LEU 76 Ca 0.05 -0.51 -0.01 0.00 0.08 0.00 0.00 57.88 57.49 1tth h LEU 76 Cb 0.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.97 1tth h LEU 76 CO -0.00 1.20 -0.13 1.88 -1.08 0.00 0.00 178.44 180.31 1tth h TYR 77 N -1.00 -0.34 -2.84 1.13 0.05 -1.52 -3.38 116.97 109.07 1tth h TYR 77 Ca -0.19 -0.01 -0.60 0.00 0.05 0.00 0.00 58.73 57.97 1tth h TYR 77 Cb 1.03 0.11 -0.40 0.00 1.01 0.00 0.00 36.73 38.48 1tth h TYR 77 CO 0.09 -0.06 -0.77 0.00 -1.05 0.00 0.00 178.16 176.37 1tth s ALA 78 N -5.23 2.11 0.27 3.88 0.00 -0.39 -4.92 121.76 117.49 1tth s ALA 78 Ca -0.15 -2.67 0.17 0.00 0.00 0.00 0.00 51.96 49.32 1tth s ALA 78 Cb 0.03 -1.84 0.76 0.00 0.00 0.00 0.00 23.12 22.07 1tth s ALA 78 CO 0.59 -2.06 1.79 -1.00 0.00 0.00 0.00 175.76 175.09 1tth h PRO 79 N 6.36 0.00 -0.01 0.00 0.13 -1.72 -1.95 132.00 134.81 1tth h PRO 79 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1tth h PRO 79 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1tth h PRO 79 CO 0.47 0.37 -0.13 0.00 -0.23 0.00 0.00 178.00 178.48 1tth n GLN 80 N -3.73 1.26 -3.05 0.86 0.00 -1.26 -4.89 117.38 106.58 1tth n GLN 80 Ca -0.01 -0.74 -0.37 0.00 0.00 0.00 0.00 57.00 55.88 1tth n GLN 80 Cb 0.46 -1.48 -0.06 0.00 0.00 0.00 0.00 30.24 29.15 1tth n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1tth s ALA 81 N -2.25 3.41 0.12 2.61 0.00 -0.73 -4.64 121.76 120.27 1tth s ALA 81 Ca 0.31 0.24 0.09 0.00 0.00 0.00 0.00 51.96 52.60 1tth s ALA 81 Cb 0.20 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 1tth s ALA 81 CO 0.43 0.31 -0.19 -0.08 0.00 0.00 0.00 175.76 176.22 1tth s THR 82 N -1.43 2.77 -0.20 0.00 -1.32 0.23 -4.64 115.64 111.06 1tth s THR 82 Ca 0.42 -1.53 0.01 0.00 -1.21 0.00 0.00 61.69 59.38 1tth s THR 82 Cb -0.18 -2.27 0.04 0.00 -1.51 0.00 0.00 72.50 68.58 1tth s THR 82 CO 0.22 0.10 -0.12 0.54 -2.21 0.00 0.00 174.62 173.15 1tth s VAL 83 N -1.13 1.76 -0.42 5.08 0.11 -1.23 0.11 120.40 124.69 1tth s VAL 83 Ca 0.17 -1.02 -0.15 0.00 -2.93 0.00 0.00 61.98 58.05 1tth s VAL 83 Cb -0.10 -1.78 0.03 0.00 -1.53 0.00 0.00 36.38 33.00 1tth s VAL 83 CO 0.10 0.24 0.32 0.20 -3.33 0.00 0.00 175.10 172.63 1tth s ASN 84 N 1.36 6.12 0.35 3.54 0.01 0.93 -3.21 114.94 124.04 1tth s ASN 84 Ca -0.00 -0.99 -0.27 0.00 -0.71 0.00 0.00 52.86 50.89 1tth s ASN 84 Cb -0.16 -2.16 -0.09 0.00 0.41 0.00 0.00 41.25 39.25 1tth s ASN 84 CO -0.09 -0.49 1.18 -0.13 -1.51 0.00 0.00 177.10 176.06 1tth s ARG 85 N 1.67 4.28 -0.03 -0.60 0.52 -0.41 -0.79 118.95 123.58 1tth s ARG 85 Ca 0.05 1.91 0.01 0.00 -0.52 0.00 0.00 55.73 57.17 1tth s ARG 85 Cb -0.20 -2.89 0.02 0.00 0.52 0.00 0.00 34.95 32.40 1tth s ARG 85 CO 0.09 -0.15 -0.02 0.42 0.02 0.00 0.00 175.30 175.66 1tth s ILE 86 N -1.30 0.33 0.01 1.52 1.01 0.10 -2.36 121.20 120.51 1tth s ILE 86 Ca 0.52 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 61.20 1tth s ILE 86 Cb -0.33 -0.39 -0.01 0.00 0.01 0.00 0.00 42.46 41.74 1tth s ILE 86 CO 0.42 0.17 -0.12 -0.62 0.00 0.00 0.00 174.94 174.79 1tth s ASP 87 N 0.91 1.42 -0.87 3.58 3.68 0.35 0.45 116.67 126.19 1tth s ASP 87 Ca -0.10 -0.31 -0.09 0.00 2.13 0.00 0.00 52.55 54.17 1tth s ASP 87 Cb -0.13 -0.12 0.01 0.00 -1.45 0.00 0.00 42.92 41.23 1tth s ASP 87 CO -0.01 0.08 0.58 -3.20 0.13 0.00 0.00 175.17 172.76 1tth n ASN 88 N 2.40 -4.30 -2.61 -0.34 4.05 0.14 -0.14 115.26 114.45 1tth n ASN 88 Ca -0.16 -1.01 -0.12 0.00 0.45 0.00 0.00 54.58 53.74 1tth n ASN 88 Cb 0.56 -1.49 -0.00 0.00 1.23 0.00 0.00 39.78 40.08 1tth n ASN 88 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1tth n TYR 89 N -3.12 -1.57 -3.73 1.20 4.02 0.77 -4.92 117.16 109.80 1tth n TYR 89 Ca -0.25 0.08 -0.13 0.00 -0.01 0.00 0.00 57.90 57.58 1tth n TYR 89 Cb 0.62 -2.49 -0.09 0.00 -0.02 0.00 0.00 39.34 37.36 1tth n TYR 89 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1tth s GLU 90 N -5.19 0.56 0.00 -0.72 -6.30 0.80 -5.00 118.70 102.84 1tth s GLU 90 Ca 0.07 0.39 0.00 0.00 -2.50 0.00 0.00 54.97 52.93 1tth s GLU 90 Cb -0.04 0.26 0.00 0.00 0.00 0.00 0.00 34.13 34.36 1tth s GLU 90 CO 0.08 -0.10 0.61 0.28 0.02 0.00 0.00 175.26 176.16 1tth n VAL 91 N 2.41 0.00 -0.32 3.70 0.31 -1.26 0.13 118.33 123.31 1tth n VAL 91 Ca -0.15 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.14 1tth n VAL 91 Cb 0.57 -1.02 0.11 0.00 -0.91 0.00 0.00 33.84 32.59 1tth n VAL 91 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 1tth h VAL 92 N 3.48 1.25 -4.00 2.52 -1.51 -1.72 -3.43 116.25 112.85 1tth h VAL 92 Ca 0.00 -0.62 -0.69 0.00 -1.23 0.00 0.00 66.70 64.17 1tth h VAL 92 Cb 0.00 0.06 -0.22 0.00 -2.13 0.00 0.00 31.29 29.00 1tth h VAL 92 CO 0.61 0.28 -0.82 -0.83 -1.23 0.00 0.00 177.57 175.58 1tth s GLY 93 N -3.27 1.56 -0.19 5.19 0.00 -1.11 -5.01 107.32 104.49 1tth s GLY 93 Ca -0.12 -1.23 -0.03 0.00 0.00 0.00 0.00 44.72 43.33 1tth s GLY 93 CO 0.82 -1.14 0.03 0.54 0.00 0.00 0.00 173.10 173.36 1tth s LYS 94 N -1.50 0.67 0.25 2.90 -0.14 -1.26 -1.29 119.74 119.37 1tth s LYS 94 Ca 0.14 -0.40 0.07 0.00 -1.36 0.00 0.00 55.97 54.42 1tth s LYS 94 Cb -0.10 -2.06 -0.05 0.00 -1.68 0.00 0.00 37.83 33.93 1tth s LYS 94 CO 0.05 -0.62 -0.08 -1.12 -0.76 0.00 0.00 175.35 172.81 1tth s SER 95 N 1.86 2.68 -0.08 2.83 0.01 -1.20 -5.04 113.70 114.76 1tth s SER 95 Ca -0.01 -1.14 -0.06 0.00 1.31 0.00 0.00 55.95 56.06 1tth s SER 95 Cb -0.17 -0.15 0.03 0.00 0.21 0.00 0.00 66.02 65.94 1tth s SER 95 CO -0.08 -0.29 0.21 -0.60 0.41 0.00 0.00 173.24 172.89 1tth s ARG 96 N -3.70 0.21 -0.30 12.44 6.06 -1.26 -3.48 118.95 128.92 1tth s ARG 96 Ca 0.27 0.36 -0.29 0.00 -2.50 0.00 0.00 55.73 53.57 1tth s ARG 96 Cb 0.02 0.01 -0.01 0.00 0.06 0.00 0.00 34.95 35.03 1tth s ARG 96 CO 0.10 -0.08 1.52 -1.25 -2.50 0.00 0.00 175.30 173.09 1tth s PRO 97 N 0.55 3.72 0.14 5.12 0.04 -1.26 -5.02 135.00 138.28 1tth s PRO 97 Ca -0.04 1.38 -0.02 0.00 0.04 0.00 0.00 61.00 62.36 1tth s PRO 97 Cb -0.05 -4.02 -0.05 0.00 0.04 0.00 0.00 34.50 30.42 1tth s PRO 97 CO -0.03 -1.39 0.33 0.45 0.04 0.00 0.00 177.00 176.41 1tth s SER 98 N 4.07 6.42 -0.19 6.66 0.15 -1.26 -4.76 113.70 124.79 1tth s SER 98 Ca 0.67 0.44 -0.29 0.00 0.70 0.00 0.00 55.95 57.47 1tth s SER 98 Cb -0.20 -2.03 -0.05 0.00 -1.71 0.00 0.00 66.02 62.03 1tth s SER 98 CO 0.29 0.06 2.02 -0.76 1.20 0.00 0.00 173.24 176.05 1tth s LEU 99 N -2.81 3.70 0.00 3.45 2.01 -1.26 -4.84 118.68 118.93 1tth s LEU 99 Ca 0.38 1.90 -0.22 0.00 0.01 0.00 0.00 54.13 56.20 1tth s LEU 99 Cb -0.12 -3.52 0.34 0.00 0.01 0.00 0.00 46.19 42.90 1tth s LEU 99 CO 0.27 -1.65 0.87 -0.81 1.01 0.00 0.00 176.35 176.04 1tth n PRO 100 N 8.32 -4.21 -0.06 1.29 -0.04 -1.26 -4.98 135.00 134.06 1tth n PRO 100 Ca 0.25 -1.44 -0.08 0.00 -0.04 0.00 0.00 63.50 62.20 1tth n PRO 100 Cb 0.45 -1.69 -0.06 0.00 -0.04 0.00 0.00 33.50 32.15 1tth n PRO 100 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1tth h GLU 101 N 0.00 0.00 -4.13 0.54 3.07 -1.94 -3.41 114.58 108.71 1tth h GLU 101 Ca -0.37 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.27 1tth h GLU 101 Cb 1.22 0.00 -0.22 0.00 -0.84 0.00 0.00 28.75 28.90 1tth h GLU 101 CO 0.23 0.50 -0.72 -0.98 -1.40 0.00 0.00 179.01 176.64 1tth s ARG 102 N -1.94 0.34 -0.03 2.33 1.70 -1.26 0.19 118.95 120.27 1tth s ARG 102 Ca -0.11 -0.54 0.05 0.00 -0.47 0.00 0.00 55.73 54.66 1tth s ARG 102 Cb -0.01 -0.05 -0.01 0.00 -0.57 0.00 0.00 34.95 34.31 1tth s ARG 102 CO 0.35 -0.00 -0.19 -1.50 -1.08 0.00 0.00 175.30 172.87 1tth s ILE 103 N -1.15 1.57 0.11 4.99 2.07 -0.24 -4.94 121.20 123.62 1tth s ILE 103 Ca -0.11 -0.83 0.03 0.00 -1.41 0.00 0.00 60.65 58.33 1tth s ILE 103 Cb -0.08 -1.33 -0.04 0.00 0.13 0.00 0.00 42.46 41.14 1tth s ILE 103 CO -0.00 0.45 -0.08 -1.81 -1.91 0.00 0.00 174.94 171.58 1tth s ASP 104 N -0.25 1.36 0.00 4.50 -0.00 -1.26 -1.42 116.67 119.61 1tth s ASP 104 Ca 0.02 -0.96 0.00 0.00 -0.00 0.00 0.00 52.55 51.61 1tth s ASP 104 Cb -0.10 0.05 0.00 0.00 -0.00 0.00 0.00 42.92 42.87 1tth s ASP 104 CO 0.01 -0.38 0.00 0.59 -0.00 0.00 0.00 175.17 175.38 1tth n ASN 105 N 0.07 -2.02 0.00 0.27 4.13 -1.17 -4.76 115.26 111.78 1tth n ASN 105 Ca -0.13 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.13 1tth n ASN 105 Cb 0.60 -1.09 0.00 0.00 -1.54 0.00 0.00 39.78 37.75 1tth n ASN 105 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1tth n VAL 106 N -2.36 0.00 -2.75 2.41 0.24 -1.26 -4.90 118.33 109.71 1tth n VAL 106 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 1tth n VAL 106 Cb 0.08 -0.43 0.01 0.00 -1.47 0.00 0.00 33.84 32.03 1tth n VAL 106 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1tth s LEU 107 N -3.44 3.53 -0.12 1.34 1.43 -1.26 -5.08 118.68 115.08 1tth s LEU 107 Ca 0.00 0.57 0.01 0.00 -1.03 0.00 0.00 54.13 53.68 1tth s LEU 107 Cb 0.00 -3.44 0.02 0.00 0.03 0.00 0.00 46.19 42.79 1tth s LEU 107 CO 0.00 -0.77 -0.15 -0.69 0.23 0.00 0.00 176.35 174.97 1tth s VAL 108 N -2.72 1.51 -0.12 -1.59 1.01 -1.26 -4.71 120.40 112.52 1tth s VAL 108 Ca 0.49 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 1tth s VAL 108 Cb -0.10 -1.39 -0.06 0.00 0.00 0.00 0.00 36.38 34.83 1tth s VAL 108 CO 0.42 0.44 2.01 0.00 0.00 0.00 0.00 175.10 177.97 1tth h PRO 110 N 12.54 0.00 -6.25 0.00 0.13 -1.91 -3.40 132.00 133.11 1tth h PRO 110 Ca -0.43 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.13 1tth h PRO 110 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1tth h PRO 110 CO 0.96 0.00 1.23 1.21 -0.23 0.00 0.00 178.00 181.17 1tth s ASN 111 N -5.29 6.13 0.22 1.44 2.47 -1.26 -4.87 114.94 113.77 1tth s ASN 111 Ca -0.04 1.65 -0.08 0.00 0.42 0.00 0.00 52.86 54.81 1tth s ASN 111 Cb 0.13 -2.53 0.17 0.00 -1.45 0.00 0.00 41.25 37.57 1tth s ASN 111 CO 0.44 -1.46 1.83 0.77 -3.72 0.00 0.00 177.10 174.96 1tth h SER 112 N 11.88 1.04 0.00 -4.21 4.64 -2.02 -2.56 113.55 122.34 1tth h SER 112 Ca -0.36 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1tth h SER 112 Cb 1.18 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1tth h SER 112 CO 1.00 0.86 0.00 -3.20 -0.87 0.00 0.00 176.83 174.62 1tth n ASN 113 N -4.38 0.41 -4.73 4.97 5.15 -1.26 -4.81 115.26 110.61 1tth n ASN 113 Ca 0.08 -1.82 -0.41 0.00 -0.60 0.00 0.00 54.58 51.83 1tth n ASN 113 Cb 0.11 -0.20 -0.04 0.00 -0.53 0.00 0.00 39.78 39.12 1tth n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1tth h ILE 115 N 4.03 1.10 -1.26 0.00 6.09 -1.90 -2.66 117.51 122.90 1tth h ILE 115 Ca -0.43 -0.41 0.43 0.00 -1.37 0.00 0.00 64.86 63.08 1tth h ILE 115 Cb 1.21 -0.20 -0.14 0.00 0.47 0.00 0.00 36.82 38.17 1tth h ILE 115 CO 0.74 0.22 0.79 0.77 -3.07 0.00 0.00 178.15 177.60 1tth h SER 116 N 1.20 0.27 0.25 2.19 4.64 -1.92 0.18 113.55 120.35 1tth h SER 116 Ca 0.43 0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.90 1tth h SER 116 Cb 0.14 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1tth h SER 116 CO -0.16 -0.23 -0.12 0.45 -0.87 0.00 0.00 176.83 175.89 1tth h HIS 117 N 0.08 -0.31 -0.36 4.77 3.86 -1.80 -3.34 115.15 118.04 1tth h HIS 117 Ca 0.83 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 60.08 1tth h HIS 117 Cb 2.51 0.10 -0.05 0.00 1.06 0.00 0.00 27.41 31.03 1tth h HIS 117 CO -0.01 -0.19 0.09 0.00 0.86 0.00 0.00 177.93 178.68 1tth h ALA 118 N -1.81 0.40 -2.35 2.45 0.00 -1.39 -3.44 119.26 113.11 1tth h ALA 118 Ca -0.03 0.06 -0.50 0.00 0.00 0.00 0.00 54.91 54.44 1tth h ALA 118 Cb 0.26 0.07 0.05 0.00 0.00 0.00 0.00 17.79 18.17 1tth h ALA 118 CO 0.06 -0.31 0.31 -1.21 0.00 0.00 0.00 179.25 178.09 1tth s GLU 119 N -6.16 3.47 -1.19 0.00 0.41 -0.07 -4.99 118.70 110.16 1tth s GLU 119 Ca -0.13 0.50 -0.15 0.00 -0.41 0.00 0.00 54.97 54.79 1tth s GLU 119 Cb 0.12 -2.18 0.16 0.00 -1.78 0.00 0.00 34.13 30.45 1tth s GLU 119 CO 0.71 -0.51 1.44 -1.25 -0.49 0.00 0.00 175.26 175.16 1tth s PRO 120 N -5.05 4.04 0.21 0.39 0.04 -1.26 -4.75 135.00 128.62 1tth s PRO 120 Ca 0.53 -2.45 -0.01 0.00 0.04 0.00 0.00 61.00 59.11 1tth s PRO 120 Cb -0.11 -5.10 -0.04 0.00 0.04 0.00 0.00 34.50 29.29 1tth s PRO 120 CO 0.50 -1.82 0.13 0.14 0.04 0.00 0.00 177.00 175.99 1tth s VAL 121 N 1.94 0.08 -0.19 -0.36 -7.23 -1.26 -5.14 120.40 108.25 1tth s VAL 121 Ca 0.43 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.42 1tth s VAL 121 Cb -0.02 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 1tth s VAL 121 CO -0.00 0.00 0.47 -0.44 -0.31 0.00 0.00 175.10 174.82 1tth s SER 122 N -3.19 6.54 1.07 4.85 0.01 -1.26 -4.99 113.70 116.73 1tth s SER 122 Ca 0.39 0.64 -0.19 0.00 1.31 0.00 0.00 55.95 58.10 1tth s SER 122 Cb 0.07 -2.27 0.07 0.00 0.21 0.00 0.00 66.02 64.10 1tth s SER 122 CO 0.12 -0.12 -0.19 -1.54 0.41 0.00 0.00 173.24 171.93 1tth n SER 123 N 4.51 -2.63 -3.16 2.44 3.41 -1.26 -4.68 113.62 112.25 1tth n SER 123 Ca -0.06 -0.17 0.05 0.00 -0.26 0.00 0.00 58.87 58.42 1tth n SER 123 Cb 0.51 -0.83 -0.03 0.00 -0.26 0.00 0.00 64.21 63.60 1tth n SER 123 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1tth s SER 124 N -1.72 -0.03 0.18 4.04 0.15 -1.26 -3.04 113.70 112.02 1tth s SER 124 Ca 0.47 0.03 0.11 0.00 0.70 0.00 0.00 55.95 57.27 1tth s SER 124 Cb -0.06 1.03 -0.04 0.00 -1.71 0.00 0.00 66.02 65.24 1tth s SER 124 CO 0.58 -0.01 -0.24 -0.36 1.20 0.00 0.00 173.24 174.41 1tth s PHE 125 N 2.42 2.32 -0.15 3.44 0.40 -0.51 0.67 117.98 126.57 1tth s PHE 125 Ca -0.04 -0.36 -0.14 0.00 -0.60 0.00 0.00 56.93 55.79 1tth s PHE 125 Cb -0.03 -1.17 -0.05 0.00 0.51 0.00 0.00 43.02 42.28 1tth s PHE 125 CO -0.12 0.47 0.31 0.00 0.70 0.00 0.00 175.22 176.58 1tth s ALA 126 N -1.55 3.59 -0.74 5.36 0.00 -0.72 -1.07 121.76 126.61 1tth s ALA 126 Ca 0.20 -0.42 -0.15 0.00 0.00 0.00 0.00 51.96 51.58 1tth s ALA 126 Cb -0.08 -2.41 0.19 0.00 0.00 0.00 0.00 23.12 20.81 1tth s ALA 126 CO 0.09 0.10 0.71 0.08 0.00 0.00 0.00 175.76 176.74 1tth s VAL 127 N 0.41 5.44 -0.09 0.00 1.01 0.49 -2.10 120.40 125.55 1tth s VAL 127 Ca 0.18 -2.11 0.03 0.00 0.00 0.00 0.00 61.98 60.08 1tth s VAL 127 Cb -0.13 -4.45 -0.01 0.00 0.00 0.00 0.00 36.38 31.79 1tth s VAL 127 CO 0.05 -1.01 -0.20 0.00 0.00 0.00 0.00 175.10 173.94 1tth s ARG 128 N 0.76 2.97 -0.14 2.72 1.04 -1.02 -4.69 118.95 120.59 1tth s ARG 128 Ca 0.14 -0.80 -0.29 0.00 -1.04 0.00 0.00 55.73 53.74 1tth s ARG 128 Cb -0.16 -2.38 -0.01 0.00 -2.04 0.00 0.00 34.95 30.36 1tth s ARG 128 CO -0.05 0.30 1.01 0.21 -0.04 0.00 0.00 175.30 176.72 1tth s LYS 129 N 0.09 4.37 0.00 3.89 2.20 -1.26 -1.40 119.74 127.63 1tth s LYS 129 Ca -0.09 1.37 0.00 0.00 -0.36 0.00 0.00 55.97 56.89 1tth s LYS 129 Cb -0.15 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 1tth s LYS 129 CO 0.06 -0.40 0.00 -2.13 -0.36 0.00 0.00 175.35 172.51 1tth n ARG 130 N 5.38 0.00 0.00 4.03 3.00 -1.04 -4.96 116.66 123.07 1tth n ARG 130 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 1tth n ARG 130 Cb 0.48 -0.17 0.00 0.00 0.00 0.00 0.00 32.46 32.77 1tth n ARG 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1tth n ALA 131 N -2.15 0.77 -1.34 5.13 0.00 -1.26 -4.95 120.51 116.71 1tth n ALA 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1tth n ALA 131 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1tth n ALA 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1tth n ASN 132 N -0.83 0.00 -3.59 0.00 4.13 -1.26 -5.08 115.26 108.63 1tth n ASN 132 Ca 0.00 -0.86 -0.07 0.00 1.68 0.00 0.00 54.58 55.33 1tth n ASN 132 Cb 0.00 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.20 1tth n ASN 132 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 1tth s ASP 133 N 0.00 -0.23 0.14 6.41 -4.77 -1.26 -5.14 116.67 111.82 1tth s ASP 133 Ca 0.00 0.18 -0.29 0.00 -3.30 0.00 0.00 52.55 49.14 1tth s ASP 133 Cb 0.00 0.21 -0.07 0.00 -1.09 0.00 0.00 42.92 41.97 1tth s ASP 133 CO 0.00 -0.27 0.90 0.27 0.70 0.00 0.00 175.17 176.77 1tth s ILE 134 N -1.58 4.42 -0.13 2.11 -0.00 -1.26 -2.50 121.20 122.25 1tth s ILE 134 Ca 0.04 1.96 -0.08 0.00 -0.00 0.00 0.00 60.65 62.58 1tth s ILE 134 Cb -0.01 -4.27 -0.04 0.00 -0.00 0.00 0.00 42.46 38.14 1tth s ILE 134 CO -0.03 0.39 0.15 0.00 -0.00 0.00 0.00 174.94 175.45 1tth s ALA 135 N -0.43 3.84 -0.14 2.27 0.00 -0.49 0.19 121.76 126.99 1tth s ALA 135 Ca 0.43 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.78 1tth s ALA 135 Cb -0.23 -2.02 0.01 0.00 0.00 0.00 0.00 23.12 20.88 1tth s ALA 135 CO 0.29 0.53 -0.22 -0.51 0.00 0.00 0.00 175.76 175.85 1tth s LEU 136 N -0.77 2.11 -0.25 0.00 1.43 0.49 -2.42 118.68 119.26 1tth s LEU 136 Ca 0.14 -0.61 -0.10 0.00 -1.03 0.00 0.00 54.13 52.53 1tth s LEU 136 Cb -0.12 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 1tth s LEU 136 CO 0.03 0.07 0.16 -0.75 0.23 0.00 0.00 176.35 176.09 1tth s LYS 137 N 0.87 3.99 0.18 1.70 2.20 -0.89 -0.38 119.74 127.40 1tth s LYS 137 Ca -0.06 -0.31 -0.32 0.00 -0.36 0.00 0.00 55.97 54.93 1tth s LYS 137 Cb -0.15 -3.55 -0.11 0.00 -1.51 0.00 0.00 37.83 32.51 1tth s LYS 137 CO -0.03 -0.04 1.67 0.00 -0.36 0.00 0.00 175.35 176.59 1tth h LYS 139 N 7.01 0.00 0.00 0.00 3.64 -0.09 -1.33 116.57 125.80 1tth h LYS 139 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1tth h LYS 139 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1tth h LYS 139 CO 0.94 0.00 -0.38 0.66 -2.27 0.00 0.00 179.45 178.40 1tth n TYR 140 N -3.78 0.14 0.41 1.91 4.01 -1.26 -4.51 117.16 114.08 1tth n TYR 140 Ca 0.01 0.06 0.08 0.00 -0.16 0.00 0.00 57.90 57.89 1tth n TYR 140 Cb 0.30 -0.31 0.35 0.00 -0.31 0.00 0.00 39.34 39.38 1tth n TYR 140 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1tth n GLU 142 N -1.76 -1.52 -3.29 0.00 1.02 -0.50 -4.96 120.64 109.64 1tth n GLU 142 Ca 0.03 1.01 -0.33 0.00 -0.02 0.00 0.00 57.16 57.85 1tth n GLU 142 Cb 0.17 -5.38 -0.06 0.00 -0.02 0.00 0.00 31.44 26.15 1tth n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1tth s LYS 143 N -3.22 3.94 -0.17 3.49 1.02 -1.26 -4.82 119.74 118.71 1tth s LYS 143 Ca 0.00 0.49 -0.02 0.00 0.02 0.00 0.00 55.97 56.46 1tth s LYS 143 Cb 0.00 -2.64 -0.01 0.00 -0.52 0.00 0.00 37.83 34.66 1tth s LYS 143 CO 0.00 0.30 -0.08 -2.00 -0.92 0.00 0.00 175.35 172.64 1tth s GLU 144 N -2.66 3.40 0.15 1.68 2.12 -1.26 -0.36 118.70 121.77 1tth s GLU 144 Ca 0.48 -0.65 0.09 0.00 0.36 0.00 0.00 54.97 55.25 1tth s GLU 144 Cb -0.12 -2.83 -0.04 0.00 0.26 0.00 0.00 34.13 31.41 1tth s GLU 144 CO 0.20 0.02 -0.21 -0.06 -0.54 0.00 0.00 175.26 174.66 1tth s PHE 145 N 0.88 1.97 0.20 5.30 0.08 0.49 -4.88 117.98 122.01 1tth s PHE 145 Ca -0.02 -0.42 -0.30 0.00 0.12 0.00 0.00 56.93 56.31 1tth s PHE 145 Cb -0.15 -1.02 -0.08 0.00 -0.57 0.00 0.00 43.02 41.20 1tth s PHE 145 CO 0.01 0.32 1.09 0.45 -0.10 0.00 0.00 175.22 176.99 1tth s SER 146 N -2.34 7.29 0.61 1.36 0.15 -1.26 0.18 113.70 119.69 1tth s SER 146 Ca 0.13 2.13 0.27 0.00 0.70 0.00 0.00 55.95 59.18 1tth s SER 146 Cb -0.08 -2.61 1.15 0.00 -1.71 0.00 0.00 66.02 62.77 1tth s SER 146 CO 0.06 -0.18 1.56 1.12 1.20 0.00 0.00 173.24 177.00 1tth h HIS 147 N 4.76 0.00 -0.54 3.44 2.07 0.17 0.23 115.15 125.27 1tth h HIS 147 Ca -0.45 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.01 1tth h HIS 147 Cb 1.21 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.17 1tth h HIS 147 CO 0.62 0.00 0.09 -0.97 -3.07 0.00 0.00 177.93 174.59 1tth h ASN 148 N 0.00 0.87 0.28 3.10 -1.24 -1.91 -2.68 115.58 113.99 1tth h ASN 148 Ca 0.33 -0.26 -0.34 0.00 0.71 0.00 0.00 56.30 56.74 1tth h ASN 148 Cb 2.06 -0.23 0.04 0.00 0.73 0.00 0.00 38.32 40.92 1tth h ASN 148 CO -0.00 0.91 -1.47 -0.37 -1.29 0.00 0.00 177.43 175.20 1tth h VAL 149 N 0.79 1.29 0.00 2.57 -1.51 -0.93 -3.22 116.25 115.25 1tth h VAL 149 Ca 0.16 -2.71 0.00 0.00 -1.23 0.00 0.00 66.70 62.92 1tth h VAL 149 Cb 0.41 3.04 0.00 0.00 -2.13 0.00 0.00 31.29 32.61 1tth h VAL 149 CO 0.01 0.81 0.00 0.52 -1.23 0.00 0.00 177.57 177.68 1tth n VAL 150 N -3.71 0.66 0.15 7.19 0.31 -1.08 -2.03 118.33 119.82 1tth n VAL 150 Ca -0.17 0.17 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 1tth n VAL 150 Cb 1.10 -0.88 0.22 0.00 -0.91 0.00 0.00 33.84 33.38 1tth n VAL 150 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1tth n LEU 151 N -1.38 3.27 -3.85 7.52 4.77 -1.01 -4.29 117.00 122.03 1tth n LEU 151 Ca 0.06 -1.65 -0.30 0.00 -0.03 0.00 0.00 56.01 54.09 1tth n LEU 151 Cb 0.16 -0.49 -0.15 0.00 -2.33 0.00 0.00 43.42 40.61 1tth n LEU 151 CO 0.14 0.52 -0.32 0.00 -1.33 0.00 0.00 177.39 176.40 1tth s ALA 152 N -1.81 2.14 0.00 -1.18 0.00 -0.86 -5.06 121.76 115.00 1tth s ALA 152 Ca 0.31 -2.10 0.00 0.00 0.00 0.00 0.00 51.96 50.17 1tth s ALA 152 Cb 0.21 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.55 1tth s ALA 152 CO 0.13 -1.71 0.38 0.09 0.00 0.00 0.00 175.76 174.66